SCHEMBL12286269

SCHEMBL12286269

CN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 13/20 0.48
▸ NPY1R P25929 9/20 0.48
▸ NPY5R Q15761 8/20 0.48
▸ NPY2R P49146 5/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12285427 0.90 GNPAT (0.52) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL2552629 0.90 GNPAT (0.52) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL24040280 0.89 NPY4R (0.46) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL12099664 0.88 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL12285389 0.88 NPY4R (0.52) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL21464836 0.88 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL21464838 0.88 NPY4R (0.49) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL24488479 0.86 NPY4R (0.51) NPY4RNPY1RNPY5RNPY2R
SCHEMBL12285733 0.86 NPY4R (0.54) NPY4RNPY1RNPY5RNPY2RNPC1
SCHEMBL10168797 0.85 NPY4R (0.67) NPY4RNPY1RNPY5RNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
US-20160235694-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2016-08-18 — — US disclosed
WO-2011133348-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 NPY4R 2732/4885NPY1R 2108/4885NPY5R 1714/4885
US-20160235694-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 NPY4R 2732/4885NPY1R 2108/4885NPY5R 1714/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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